1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol

C23H28N6O — CID 167233200

About 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol

1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol (PubChem CID 167233200) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
• PubChem CID: 167233200
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
• SMILES: CC(O)CN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1
• InChI: InChI=1S/C23H28N6O/c1-17(30)15-28-11-5-23(16-28)6-12-29(13-7-23)22-19-4-10-25-14-20(19)26-21(27-22)18-2-8-24-9-3-18/h2-4,8-10,14,17,30H,5-7,11-13,15-16H2,1H3
• InChIKey: DTVNECWMYCSEBL-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?

The IUPAC name of 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol (CID 167233200) is 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol.

What is the SMILES notation for 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?

The canonical SMILES for 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol is CC(O)CN1CCC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)C1.

What is the InChIKey of 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?

The InChIKey is DTVNECWMYCSEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17(30)15-28-11-5-23(16-28)6-12-29(13-7-23)22-19-4-10-25-14-20(19)26-21(27-22)18-2-8-24-9-3-18/h2-4,8-10,14,17,30H,5-7,11-13,15-16H2,1H3.

What are the key properties of 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?

1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol has a molecular weight of 404.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol is sourced from PubChem (CID 167233200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).